Crystallography Open Database

Information card for entry 4508939

Preview

Coordinates	4508939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Hg2 I4 N4
Calculated formula	C8 H6 Hg2 I4 N4
SMILES	c1[n](cc(c2cncnc2)c[n]1[Hg](I)I)[Hg](I)I
Title of publication	Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions
Authors of publication	Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	258
a	14.502 ± 0.0009 Å
b	17.0743 ± 0.0009 Å
c	6.7451 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1670.16 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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